publicationDate stringlengths 1 2.79k | title stringlengths 1 36.5k ⌀ | abstract stringlengths 1 37.3k ⌀ | id stringlengths 9 47 |
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2019-10-05 | Adsorption, desorption, and interdiffusion in atomic layer epitaxy of CdTe and CdZnTe | The mechanisms controlling the growth rate and composition of epitaxial CdTe
and CdZnTe films were studied. The films were grown by isothermal closed space
configuration technique. A GaAs 100 substrate was exposed sequentially to the
elemental sources, Zn, Te, and Cd, in isothermal conditions. While growth of
ZnTe foll... | 1910.02944v1 |
2019-10-13 | Phonon-assisted diffusion in bcc phase of titanium and zirconium from first-principles | Diffusion is the underlying mechanism for many complicated materials
phenomena, and understanding it is basic to the discovery of novel materials
with desired physical and mechanical properties. Certain groups of solid
phases, such as the bcc phase of IIIB and IVB metals and their alloys, which
are only stable when the... | 1910.05806v2 |
2019-10-18 | Design and operation of the air-cooled beam dump for the extraction line of CERN's Proton Synchrotron Booster (PSB) | A new beam dump has been designed, built, installed and operated to withstand
the future proton beam extracted from the Proton Synchrotron Booster (PSB) in
the framework of the LHC Injector Upgrade (LIU) Project at CERN, consisting of
up to 1E14 protons per pulse at 2 GeV, foreseen after the machine upgrades
planned fo... | 1910.08493v4 |
2019-10-25 | Theory of transformation-mediated twinning | High-density and nanosized deformation twins in face-centered cubic
(fcc)materials can effectively improve the combination of strength and
ductility. However, the microscopic dislocation mechanisms enabling a high
twinnability remain elusive. Twinning usually occurs via continuous nucleation
and gliding of twinning par... | 1910.11748v2 |
2012-09-11 | Analysis of acoustic emission during the melting of embedded indium particles in an aluminum matrix: a study of plastic strain accommodation during phase transformation | Acoustic emission is used here to study melting and solidification of
embedded indium particles in the size range of 0.2 to 3 um in diameter and to
show that dislocation generation occurs in the aluminum matrix to accommodate a
2.5% volume change. The volume averaged acoustic energy produced by indium
particle melting ... | 1209.2454v1 |
2014-06-01 | Diffusivities and kinetics of short-range and long-range orderings in Ni-Fe permalloys | The microscopic model of atomic diffusion is considered to describe the
short-range order relaxation kinetics within the f.c.c.-Ni-Fe Permalloys. The
model takes into account both the discrete and anisotropic characters of atomic
jumps within the long-range field of concentration heterogeneities of the
interacting atom... | 1406.0147v1 |
2014-06-17 | First-principles study of the electronic structure of CdS/ZnSe coupled quantum dots | We have studied the electronic structure of CdS/ZnSe coupled quantum dot, a
novel heterostructure at the nano-scale. Our calculations reveal CdS/ZnSe
coupled quantum dots to be of type-II in nature where the anion-p states play
an important role in deciding the band offset for the highest occupied
molecular orbitals (H... | 1406.4487v1 |
2014-06-20 | Cluster Altered Magnetic and Transport Properties in Eu Co-Doped Ge(1-x)Mn(x)Te | Magnetic and transport properties of Ge(1-x-y)Mn(x)Eu(y)Te crystals with
chemical compositions 0.041 < x < 0.092 and 0.010 < y < 0.043 are studied.
Ferromagnetic order is observed at 150 < T < 160 K. Aggregation of magnetic
ions into clusters is found to be the source of almost constant, composition
independent Curie t... | 1406.5289v1 |
2014-06-20 | From itinerant to local transformation and critical point in Ni-rich Ce_2(Ni_{1-y}Pd_y)_2Sn | Structural, magnetic (M) and thermal (C_m) studies on Ce_2(Ni_{1-y}Pd_y)_2Sn
alloys are presented within the 0<y<0.55 range of concentration, showing
evidences for itinerant to local electronic transformation. At variance with
RKKY type interactions between localized moments \mu_{eff}, the substitution of
Ni by isoelec... | 1406.5380v1 |
2018-02-07 | Towards a Simple, and Yet Accurate, Transistor Equivalent Circuit and Its Application to the Analysis and Design of Discrete and Integrated Electronic Circuits | Transistors are the cornerstone of modern electronics. Yet, their relatively
complex characteristics, allied with often observed great parameter variation,
remain a challenge for discrete and integrated electronics. Much of transistor
research and applications have relied on transistor models, as well as
respective equ... | 1802.02279v1 |
2018-02-08 | Self-ordered nanostructures on patterned substrates: Experiment and theory of metalorganic vapor-phase epitaxy of V-groove quantum wires and pyramidal quantum dots | The formation of nanostructures during metalorganic vapor-phase epitaxy on
patterned (001)/(111)B GaAs substrates is reviewed. The focus of this review is
on the seminal experiments that revealed the key kinetic processes during
nanostructure formation and the theory and modelling that explained the
phenomenology in su... | 1802.02823v1 |
2018-02-13 | High Mobility 2DEG in modulation-doped \b{eta}-(AlxGa1-x)2O3/Ga2O3 heterostructures | Beta-phase Ga2O3 has emerged as a promising candidate for a wide range of
device applications, including power electronic devices, radio-frequency
devices and solar-blind photodetectors. The wide bandgap energy and the
predicted high breakdown field, together with the availability of low-cost
native substrates, make \b... | 1802.04426v1 |
2018-02-23 | Crystal structure and local ordering in epitaxial Fe$_{100-x}$Ga$_x$/MgO(001) films | In this work we present a study of the structural properties of Fe$_{100-x}$
Ga$_x$ grown by Molecular Beam Epitaxy on Mg0(100). We combine long range and
local/chemically selective X-ray probes (X-ray Diffraction and X-ray absorption
spectroscopy) together with real space imaging by means of Transmission
Electron Micr... | 1802.08740v2 |
2018-02-26 | Magnetic order and disorder in nanomagnets probed by superconducting vortices | We have studied two nanomagnet systems with strong (Co/Pd multilayers) and
weak (NdCo alloy films) stray magnetic fields by probing the out-of-plane
magnetic states with superconducting vortices. The hybrid samples are made of
array of nanomagnets embedded in superconducting Nb thin films. The vortex
motion detects rel... | 1802.09633v3 |
2018-08-03 | Giant magnetocaloric effect driven by indirect exchange in magnetic multilayers | Indirect exchange coupling in magnetic multilayers, also known as the
Ruderman-Kittel-Kasuya-Yosida (RKKY) interaction, is known to be highly
effective in controlling the interlayer alignment of the magnetization. This
coupling is typically fixed at the stage of the multilayer fabrication and does
not allow ex-situ con... | 1808.01291v3 |
2018-08-13 | Improvement of superconducting properties by high mixing entropy at blocking layers in BiS2-based superconductor REO0.5F0.5BiS2 | To investigate the interlayer interaction in the recently synthesized
high-entropy-alloy-type (HEA-type) REO0.5F0.5BiS2 superconductors (RE: rare
earth), we have systematically synthesized samples with close lattice
parameters and different mixing entropy (DSmix) for the RE site. The crystal
structure was investigated ... | 1808.04090v2 |
2018-08-21 | Smart energy models for atomistic simulations using a DFT-driven multifidelity approach | The reliability of atomistic simulations depends on the quality of the
underlying energy models providing the source of physical information, for
instance for the calculation of migration barriers in atomistic Kinetic Monte
Carlo simulations. Accurate (high-fidelity) methods are often available, but
since they are usua... | 1808.06935v2 |
2018-12-05 | Substrate-dependent Photoconductivity Dynamics in a High-efficiency Hybrid Perovskite Alloy | Films of
(FA$_{0.79}$MA$_{0.16}$Cs$_{0.05}$)$_{0.97}$Pb(I$_{0.84}$Br$_{0.16}$)$_{2.97}$
were grown over TiO$_{2}$, SnO$_{2}$, ITO, and NiO. Film conductivity was
interrogated by measuring the in-phase and out-of-phase forces acting between
the film and a charged microcantilever. We followed the films' conductivity vs.
... | 1812.02135v2 |
2018-12-17 | Tuning bimetallic catalysts for a selective growth of SWCNTs | Recent advances in structural control during the synthesis of SWCNTs have in
common the use of bimetallic nanoparticles as catalysts, despite the fact that
their exact role is not fully understood. We therefore analyze the effect of
the catalyst' s chemical composition on the structure of the resulting SWCNTs
by compar... | 1812.06118v1 |
2018-12-13 | Analytical, numerical and experimental investigation of Luneburg lens system for directional cloaking | In this study, the design of a directional cloaking based on the Luneburg
lens system is proposed and its operating principle is experimentally verified.
The cloaking concept is analytically investigated via geometrical optics and
numerically realized with the help of the finite-difference time-domain method.
In order ... | 1812.06179v2 |
2018-12-19 | A non-linear minimization calculation of the renormalized frequency $\tildeω$ in dirty d-wave superconductors | This work performs a comparative numerical study of the impurity average
self-frequency $\tilde{\omega}$ in an unconventional superconducting alloy with
non-magnetic impurities. Two methods are used: the Levenberg-Marquardt
algorithm as a non-linear minimization problem, and a fixed-point iteration
procedure. The uncon... | 1812.08165v2 |
2019-02-10 | Unconventional anomalous Hall effect in 3d/5d multilayers mediated by the nonlocal spin-conductivity | We evidenced unconventionnal Anomalous Hall Effects (AHE) in 3d/5d
(Co0.2nm/Ni0.6nm)N multilayers grown on a thin Pt layer or thin Au:W alloy. The
inversion observed on AHE originates from the opposite sign of the spin-orbit
coupling of Pt compared to Ni. Via advanced simulations methods for the
description of the spin... | 1902.03564v2 |
2019-02-11 | Stable, carbon-free inks of Cu2ZnSnS4 nanoparticles synthesized at room temperature designed for roll-to-roll fabrication of solar cell absorber layers | We report on a novel room temperature approach for the synthesis of
environmentally-friendly copper zinc tin sulfide ($Cu_2ZnSnS_4$) nanoparticles.
The method is shown to be compositionally robust and able to produce
$S^{2-}$-stabilized carbon-free nanoparticle inks that are suitable for an
absorber layer in solar cell... | 1902.04044v2 |
2019-02-20 | Epitaxial strain adaption in chemically disordered FeRh thin films | Strain and strain adaption mechanisms in modern functional materials are of
crucial importance for their performance. Understanding these mechanisms will
advance innovative approaches for material properties engineering. Here we
study the strain adaption mechanism in a thin film model system as function of
epitaxial st... | 1902.07596v2 |
2019-06-05 | Pattern Formation Mechanism of Directionally-Solidified MoSi2/Mo5Si3 Eutectic by Phase-Field Simulation | A phase-field study has been conducted to obtain an understanding of the
formation mechanism of the script lamellar pattern of MoSi2/Mo5Si3 eutectic
composite, which is a promising candidate for high-temperature structural
application. The spacing of the lamellar pattern in the simulation results
shows good agreement w... | 1906.01814v2 |
2019-06-05 | Thermal chiral anomaly in the magnetic-field induced ideal Weyl phase of Bi1-xSbx topological insulators | The chiral anomaly is the predicted break down of chiral symmetry in a Weyl
semimetal with monopoles of opposite chirality when an electric field parallel
to a magnetic field is applied. It occurs because of charge pumping from a
positive chirality to a negative chirality monopole. Experimental observation
of this fund... | 1906.02248v3 |
2019-06-10 | Site-resolved hyperfine and lattice dynamical properties of a single-crystal Fe3Si | A single-crystal sample of a DO3-ordered Fe3Si compound was studied by means
of the 57Fe M\"ossbauer spectroscopy. Spectra have been recorded in a
transmission geometry in the temperature range between 5 and 850 K. They have
been analyzed either in terms of five sextets or five hyperfine field
distribution curves. Conc... | 1906.03946v1 |
2019-05-31 | High-low level support vector regression prediction approach (HL-SVR) for data modeling with input parameters of unequal sample sizes | Support vector regression (SVR) has been widely used to reduce the high
computational cost of computer simulation. SVR assumes the input parameters
have equal sample sizes, but unequal sample sizes are often encountered in
engineering practices. To solve this issue, a new prediction approach based on
SVR, namely as hig... | 1906.05777v1 |
2019-06-18 | Effect of grain-boundary diffusion process on the geometry of the grain microstructure of Nd$-$Fe$-$B nanocrystalline magnets | Hot-deformed anisotropic Nd$-$Fe$-$B nanocrystalline magnets have been
subjected to the grain-boundary diffusion process (GBDP) using a
$\mathrm{Pr}_{70}\mathrm{Cu}_{30}$ eutectic alloy. The resulting grain
microstructure, consisting of shape-anisotropic Nd$-$Fe$-$B nanocrystals
surrounded by a Pr$-$Cu-rich intergranul... | 1906.07388v1 |
2019-06-20 | Predicting the Curie temperature of ferromagnets using machine learning | The magnetic properties of a material are determined by a subtle balance
between the various interactions at play, a fact that makes the design of new
magnets a daunting task. High-throughput electronic structure theory may help
to explore the vast chemical space available and offers a design tool to the
experimental s... | 1906.08534v1 |
2019-06-24 | Weak ferromagnetism in hexagonal Mn3Z (Z=Sn, Ge, Ga) alloys | We present combined spin model and first principles electronic structure
calculations to study the weak ferromagnetism in bulk Mn$_3$Z (Z=Sn, Ge, Ga)
compounds. The spin model parameters were determined from a spin-cluster
expansion technique based on the relativistic disordered local moment formalism
implemented in th... | 1906.10062v1 |
2019-06-26 | Suppressed Auger scattering and tunable light emission of Landau-quantized massless Kane electrons | The Landau level laser has been proposed a long time ago as a unique source
of monochromatic radiation, widely tunable in the THz and infrared spectral
ranges using an externally applied magnetic field. In spite of decades of
efforts, this appealing concept never resulted in the design of a reliable
device. This is due... | 1906.10905v2 |
2019-06-27 | Kinetic Control of Morphology and Composition in Ge/GeSn Core/Shell Nanowires | The growth of Sn-rich group-IV semiconductors at the nanoscale provides new
paths for understanding the fundamental properties of metastable GeSn alloys.
Here, we demonstrate the effect of the growth conditions on the morphology and
composition of Ge/GeSn core/shell nanowires by correlating the experimental
observation... | 1906.11694v3 |
2020-04-02 | Spinodal decomposition versus classical gamma-prime nucleation in a nickel-base superalloy powder: An in-situ neutron diffraction and atomic-scale analysis | Contemporary powder-based polycrystalline nickel-base superalloys inherit
microstructures and properties that are heavily determined by the
thermo-mechanical treatments during processing. Here, the influence of a
thermal exposure alone to an alloy powder is studied to elucidate the
controlling formation mechanisms of t... | 2004.01146v2 |
2020-04-09 | Exploration of lattice Hamiltonians for functional and structural discovery via Gaussian Process-based Exploration-Exploitation | Statistical physics models ranging from simple lattice to complex quantum
Hamiltonians are one of the mainstays of modern physics, that have allowed both
decades of scientific discovery and provided a universal framework to
understand a broad range of phenomena from alloying to frustrated and
phase-separated materials ... | 2004.04832v4 |
2020-04-12 | Fabrication process and failure analysis for robust quantum dots in silicon | We present an improved fabrication process for overlapping aluminum gate
quantum dot devices on Si/SiGe heterostructures that incorporates
low-temperature inter-gate oxidation, thermal annealing of gate oxide, on-chip
electrostatic discharge (ESD) protection, and an optimized interconnect process
for thermal budget con... | 2004.05683v3 |
2020-05-01 | Tunable Ferromagnetism and Thermally Induced Spin Flip in Vanadium-doped Tungsten Diselenide Monolayers at Room Temperature | The outstanding optoelectronic and valleytronic properties of transition
metal dichalcogenides (TMDs) have triggered intense research efforts by the
scientific community. An alternative to induce long-range ferromagnetism (FM)
in TMDs is by introducing magnetic dopants to form a dilute magnetic
semiconductor. Enhancing... | 2005.00493v1 |
2020-05-07 | Prediction of the Al-rich part of the Al-Cu phase diagram using cluster expansion and statistical mechanics | The thermodynamic properties of {\alpha}-Al and other phases (GP zones,
{\theta}'', {\theta}' and {\theta}) in the Al-rich part of the Al-Cu system
have been obtained by means of the cluster expansion formalism in combination
with statistical mechanics. This information was used to build the Al-rich part
of the Al-Cu p... | 2005.03605v1 |
2020-05-08 | Sublattice magnetizations of ultrathin ferrimagnetic lamellar nanostructures between cobalt leads | In this work we model the salient magnetic properties of the alloy lamellar
ferrimagnetic nanostructures
$[Co_{1-c}Gd_c]_{\ell^{\prime}}[Co]_\ell[Co_{1-c}Gd_c]_{\ell^{\prime}}$ between
$Co$ semi-infinite leads. We have employed the Ising spin effective field
theory (EFT) to compute the reliable magnetic exchange consta... | 2005.03965v3 |
2020-04-18 | Information Content of Hierarchical n-Point Polytope Functions for Quantifying and Reconstructing Disordered Systems | Disordered systems are ubiquitous in physical, biological and material
sciences. Examples include liquid and glassy states of condensed matter,
colloids, granular materials, porous media, composites, alloys, packings of
cells in avian retina and tumor spheroids, to name but a few. A comprehensive
understanding of such ... | 2005.06391v1 |
2020-05-14 | T2 phase site occupancies in the Cr--Si--B system: a combined synchroton-XRD/first-principles study | Boron and Silicon site occupancies of the T2 phase in the Cr-Si-B system were
investigated experimentally and by first-principles electronic-structure
calculations within the scope of the Density Functional Theory (DFT). A sample
with nominal composition Cr$_{0.625}$B$_{0.175}$Si$_{0.2}$ was arc-melted under
argon, enc... | 2005.06900v4 |
2020-08-05 | Atomistic simulation of martensite microstructural evolution during temperature driven $β\rightarrow α$ transition in pure titanium | Titanium and its alloys undergo temperature-driven martensitic phase
transformation leading to the development of complex microstructures at
mesoscale. Optimizing the mechanical properties of these materials requires an
understanding of the correlations between the processing parameters and the
mechanisms involved in t... | 2008.02128v2 |
2020-08-11 | Grain refinement of stainless steel in ultrasound-assisted additive manufacturing | Metals and alloys fabricated by fusion-based additive manufacturing (AM), or
3D printing, undergo complex dynamics of melting and solidification, presenting
challenges to the effective control of grain structure. Herein, we report on
the use of high-intensity ultrasound that controls the process of
solidification durin... | 2008.04485v3 |
2020-08-11 | Investigating the ranges of (meta)stable phase formation in (InxGa1-x)2O3: Impact of the cation coordination | We investigate the phase diagram of the heterostructural solid solution
(InxGa1-x)2O3 both computationally, by combining cluster expansion and density
functional theory, and experimentally, by means of TEM measurements of pulsed
laser deposited (PLD) heteroepitaxial thin films. The shapes of the Gibbs free
energy curve... | 2008.04573v1 |
2020-08-12 | Symmetry driven topological phases in XAgBi (X=Ba,Sr): An Ab-initio hybrid functional calculations | Density functional theory (DFT) approaches have been ubiquitously used to
predict topological order and non-trivial band crossings in real materials,
like Dirac, Weyl semimetals and so on. However, use of less accurate
exchange-correlation functional often yields false prediction of non-trivial
band order leading to mi... | 2008.05108v1 |
2020-08-15 | Electrically Reconfigurable Nonvolatile Metasurface Using Low-Loss Optical Phase Change Material | Active metasurfaces promise reconfigurable optics with drastically improved
compactness, ruggedness, manufacturability, and functionality compared to their
traditional bulk counterparts. Optical phase change materials (O-PCMs) offer an
appealing material solution for active metasurface devices with their large
index co... | 2008.06659v2 |
2020-08-17 | Phonon-based partition of (ZnSe-like) semiconductor mixed crystals on approach to their pressure-induced structural transition | The generic 1-bond:2-mode percolation type Raman signal inherent to the short
bond of common (A,B)C semiconductor mixed crystals with zincblende (cubic)
structure is exploited as a sensitive mesoscope to explore how various
ZnSe-based systems engage their pressure-induced structural transition (to
rock-salt) at the sub... | 2008.07187v1 |
2020-08-20 | Antimony thin films demonstrate programmable optical non-linearity | The use of metals of nanometer dimensions to enhance and manipulate
light-matter interactions for a range of emerging plasmonics-enabled
nanophotonic and optoelectronic applications is an interesting, yet not highly
explored area of research outside of plasmonics1,2. Even more importantly, the
concept of an active meta... | 2008.09007v1 |
2020-08-25 | Variable selection for Gaussian process regression through a sparse projection | This paper presents a new variable selection approach integrated with
Gaussian process (GP) regression. We consider a sparse projection of input
variables and a general stationary covariance model that depends on the
Euclidean distance between the projected features. The sparse projection matrix
is considered as an unk... | 2008.10769v1 |
2020-08-27 | Probing efficient n-type lanthanide dopants for Mg$_3$Sb$_2$ thermoelectrics | The recent discovery of n-type Mg$_3$Sb$_2$ thermoelectric has ignited
intensive research activities on searching for potential n-type dopants for
this material. Using first-principles defect calculations, here we conduct a
systematic computational screening of potential efficient n-type lanthanide
dopants for Mg$_3$Sb... | 2008.12015v1 |
2020-08-28 | Uncovering the role of the density of states in controlling ultrafast spin dynamics | At the ultrafast limit of optical spin manipulation is the theoretically
predicted phenomena of optical intersite spin transfer (OISTR), in which laser
induced charge transfer between the sites of a multi-component material leads
to control over magnetic order. A key prediction of this theory is that the
demagnetizatio... | 2008.12612v2 |
2021-03-01 | Sub-second and ppm-level Optical Sensing of Hydrogen Using Templated Control of Nano-hydride Geometry and Composition | The use of hydrogen as a clean and renewable alternative to fossil fuels
requires a suite of flammability mitigating technologies, particularly robust
sensors for hydrogen leak detection and concentration monitoring. To this end,
we have developed a class of lightweight optical hydrogen sensors based on a
metasurface o... | 2103.01011v1 |
2021-03-09 | Unconventional short-range structural fluctuations in cuprate high-$T_c$ superconductors | The interplay between structural and electronic degrees of freedom in complex
materials is the subject of extensive debate in physics and materials science.
Particularly interesting questions pertain to the nature and extent of
pre-transitional short-range order in diverse systems ranging from shape-memory
alloys to un... | 2103.05482v3 |
2021-03-10 | Eigenmodes of a disordered FeCo magnonic crystal at finite temperatures | In this report we present a systematic study of the magnonic modes in the
disordered Fe$_{0.5}$Co$_{0.5}$ alloy based on the Heisenberg Hamiltonian using
two complementary approaches. In order to account for substitutional disorder,
on the one hand we directly average the transverse magnetic susceptibility in
real spac... | 2103.05967v2 |
2021-03-26 | A tale of two phase diagrams: Interplay of ordering and hydrogen uptake in Pd-Au-H | Due to their ability to reversibly absorb/desorb hydrogen without hysteresis,
Pd--Au nanoalloys have been proposed as materials for hydrogen sensing. For
sensing, it is important that absorption/desorption isotherms are reproducible
and stable over time. A few studies have pointed to the influence of short and
long ran... | 2103.14340v1 |
2021-03-29 | Synthesis of Three-Dimensionally Interconnected Hexagonal Boron Nitride Networked Cu-Ni Composite | A three-dimensionally interconnected hexagonal boron nitride (3Di-hBN)
networked Cu-Ni (3Di-hBN-Cu-Ni) composite was successfully synthesized in situ
using a simple two-step process which involved the compaction of mixed Cu-Ni
powders (70 wt.% Cu and 30 wt.% Ni) into a disc followed by metal-organic
chemical vapor depo... | 2103.15392v1 |
2021-03-29 | The improved inverted AlGaAs/GaAs interface: its relevance for high-mobility quantum wells and hybrid systems | Two dimensional electron gases (2DEGs) realized at GaAs/AlGaAs single
interfaces by molecular-beam epitaxy (MBE) reach mobilities of about 15 million
cm^2/Vs if the AlGaAs alloy is grown after the GaAs. Surprisingly, the
mobilities may drop to a few millions for the identical but inverted
AlGaAs/GaAs interface, i.e. re... | 2103.15935v3 |
2022-01-30 | Ultrahigh-Pressure Magnesium Hydrosilicates as Reservoirs of Water in Early Earth | The origin of water on the Earth is a long-standing mystery, requiring a
comprehensive search for hydrous compounds, stable at conditions of the deep
Earth and made of Earth-abundant elements. Previous studies usually focused on
the current range of pressure-temperature conditions in the Earth's mantle and
ignored a po... | 2202.00752v1 |
2022-02-04 | Theory of Disordered Superconductors with Applications to Nonlinear Current Response | I present a review of the theory and basic equations for charge transport in
superconducting alloys starting from the Keldysh formulation of the
quasiclassical transport equations developed by Eilenberger, Larkin and
Ovchinnikov and Eliashberg. This formulation is the natural extension of
Landau's theory of normal Ferm... | 2202.02260v2 |
2022-02-07 | Coulomb correlations and magnetic properties of L1$_0$ FeCo: a DFT+DMFT study | We consider electronic correlation effects and their impact on magnetic
properties of tetragonally distorted chemically ordered FeCo alloys (L1$_0$
structure) being a promising candidate for rare-earth-free permanent magnets.
We employ a state-of-the-art method combining density functional and dynamical
mean-field theo... | 2202.03205v2 |
2022-02-09 | Hole conductivity through a defect band in $\rm ZnGa_2O_4$ | Semiconductors with wide band gap (3.0 eV), high dielectric constant (> 10),
good thermal dissipation, and capable of $n$- and $p$-type doping are highly
desirable for high-energy power electronic devices. Recent studies indicate
that $\rm ZnGa_2O_4$ may be suitable for these applications, standing out as an
alternativ... | 2202.04698v1 |
2022-02-11 | Room Temperature Magnetocaloric Effect In CrTe1-XSex Alloys | Polycrystalline CrTe1-xSex samples were prepared using the conventional
solid-state reaction technique and characterized by x-rad diffraction,
temperature- and field- dependent magnetization for possible use in
magnetocaloric cooling. Rietveld refinement revealed two phases in all prepared
samples; a minor monoclinic p... | 2202.05624v2 |
2022-02-18 | The effect of hydrogen on the multiscale mechanical behaviour of a La(Fe,Mn,Si)13-based magnetocaloric material | Magnetocaloric cooling offers the potential to improve the efficiency of
refrigeration devices and hence cut the significant CO2 emissions associated
with cooling processes. A critical issue in deployment of this technology is
the mechanical degradation of the magnetocaloric material during processing and
operation, le... | 2202.09148v1 |
2022-02-18 | Synergism between B and Nb improves fire resistance in microalloyed steels | The development of new fire-resistant steels represents a challenge in
materials science and engineering of utmost importance. Alloying elements such
as Nb and Mo are generally used to improve the strength at both room- and
high-temperatures due to, for example, the formation of precipitates and harder
microconstituent... | 2202.09197v1 |
2022-02-28 | Thermodynamic modeling of the Pd-Zn system with uncertainty quantification and its implication to tailor catalysts | Pd-Zn intermetallic catalysts show encouraging combinations of activity and
selectivity on well-defined active site ensembles. Thermodynamic description of
the Pd-Zn system, delineating phase boundaries, and enumerating site
occupancies within intermediate alloy phases, are essential to determining the
ensembles of Pd-... | 2203.00044v2 |
2022-03-09 | All-optical switching on the nanometer scale excited and probed with femtosecond extreme ultraviolet pulses | Ultrafast control of magnetization on the nanometer length scale, in
particular all-optical switching, is key to putting ultrafast magnetism on the
path towards future technological application in data storage technology.
However, magnetization manipulation with light on this length scale is
challenging due to the wave... | 2203.04996v2 |
2022-03-10 | Superconducting dome by tuning through a Van Hove singularity in a two-dimensional metal | Chemical substitution is a promising route for the exploration of a rich
variety of doping- and/or disorder-dependent collective phenomena in
low-dimensional quantum materials. Here we show that transition metal
dichalcogenide alloys are ideal platforms to this purpose. In particular, we
demonstrate the emergence of su... | 2203.05650v3 |
2022-03-15 | Confining Eutectic Gallium Indium (eGaIn) in Expired Artificial Kidneys to Unveil Nanoporous Conductive Wires | Nanoporous membranes have gained considerable interest in drug delivery1, ion
transportation2, micro/nanofluidics3, molecular sensing4, and separation
science5. Artificial kidneys, also known as dialyzers, reject pathogens and
other unwanted substances from the blood, utilize hundreds of soft and
nanoporous polymeric m... | 2203.07744v1 |
2022-03-27 | Enhancement of the superconducting critical temperature realized in the La-Ce-H system at moderate pressures | Covalent and ionic polyhydrides have become the two main camps in searching
for the high-temperature superconductors under pressure. They have been
considered as important platforms for exploring ternary or multiple hydrides in
order to further increase the Tc or decrease the stabilization pressure. In
this work, we su... | 2203.14353v2 |
2022-03-30 | Tin (Sn) at high pressure: review, X-ray diffraction, DFT calculations, and Gibbs energy modeling | An assessment of the Sn unary system is presented. First, the literature on
phase equilibria, the thermodynamic properties, the volume and related
properties, and shock compression of tin is thoroughly reviewed. Second, the Sn
system is investigated by means of synchrotron X-ray diffraction in a
diamond-anvil cell up t... | 2203.16240v2 |
2016-03-06 | Strain-induced structural instability in FeRh | We perform density functional calculations to investigate the structure of
the inter-metallic alloy FeRh under epitaxial strain. Bulk FeRh exhibits a
metamagnetic transition from a low-temperature antiferromagnetic (AFM) phase to
a ferromagnetic (FM) phase at 350K, and its strain dependence is of interest
for tuning th... | 1603.01827v1 |
2016-03-11 | Colloquium: Topological Band Theory | The first-principles band theory paradigm has been a key player not only in
the process of discovering new classes of topologically interesting materials,
but also for identifying salient characteristics of topological states,
enabling direct and sharpened confrontation between theory and experiment. We
begin this revi... | 1603.03576v1 |
2016-03-14 | Double-phase transition and giant positive magnetoresistance in the quasi-skutterudite Gd$_3$Ir$_4$Sn$_{13}$ | The magnetic, thermodynamic and electrical/thermal transport properties of
the caged-structure quasi-skutterudite Gd$_3$Ir$_4$Sn$_{13}$ are
re-investigated. The magnetization $M(T)$, specific heat $C_p(T)$ and the
resistivity $\rho(T)$ reveal a double-phase transition -- at $T_{N1}\sim$ 10~K
and at $T_{N2}\sim$ 8.8~K -... | 1603.04377v1 |
2016-03-23 | Marangoni driven turbulence in high energy surface melting processes | Experimental observations of high-energy surface melting processes, such as
laser welding, have revealed unsteady, often violent, motion of the free
surface of the melt pool. Surprisingly, no similar observations have been
reported in numerical simulation studies of such flows. Moreover, the published
simulation result... | 1603.07124v1 |
2016-12-08 | Elucidating the Voltage Controlled Magnetic Anisotropy | Voltage controlled magnetic anisotropy (VCMA) is an efficient way to
manipulate the magnetization states in nanomagnets, promising for low-power
spintronic applications. The underlying physical mechanism for VCMA is known to
involve a change in the d-orbital occupation on the transition metal interface
atoms with an ap... | 1612.02724v1 |
2016-12-12 | Synthesis and properties of A$_x$V$_2$Al$_{20}$ (A = Th, U, Np, Pu) ternary actinide aluminides | Polycrystalline samples of A$_x$V$_2$Al$_{20}$ (A = Ce, Th, U, Np, Pu; 0.7 =<
x =< 1.0) actinide intermetallics were synthesized using the arc-melting
method. Crystal structure studies were performed by means of powder x-ray
diffraction and the Rietveld refinement method. All studied compounds
crystallize in the CeCr$_... | 1612.03609v1 |
2016-12-20 | Magnetism of PrFeAsO parent compound for iron-based superconductors: Mössbauer spectroscopy study | Moessbauer spectroscopy measurements were performed for the temperature range
between 4.2 K and 300 K in a transmission geometry applying 14.41-keV resonant
line in 57Fe for PrFeAsO the latter being a parent compound of the iron-based
superconductors belonging to the '1111' family. It was found that an itinerant
3d mag... | 1612.06776v3 |
2016-12-20 | Magnetocrystalline anisotropy of Laves phase Fe$_2$Ta$_{1-x}$W$_x$ from first principles - the effect of 3d-5d hybridisation | The magnetic properties of Fe$_2$Ta and Fe$_2$W in the hexagonal Laves phase
are computed using density functional theory in the generalised gradient
approximation, with the full potential linearised augmented plane wave method.
The alloy Fe$_2$Ta$_{1-x}$W$_x$ is studied using the virtual crystal
approximation to treat... | 1612.06802v1 |
2016-12-22 | Band-gap tuning and optical response of two-dimensional Si$_x$C$_{1-x}$: A first-principles real space study of disordered 2D materials | We present a real-space formulation for calculating the electronic structure
and optical conductivity of such random alloys based on the Kubo-Greenwood
formalism interfaced with the augmented space recursion (ASR) [A. Mookerjee, J.
Phys. C: Solid State Phys. {\bf 6}, 1340 (1973)] formulated with the
Tight-binding Linea... | 1612.07713v5 |
2017-02-08 | A continuum approach to combined $γ/γ'$ evolution and dislocation plasticity in Nickel-based superalloys | Creep in single crystal Nickel-based superalloys has been a topic of interest
since decades, and nowadays simulations are more and more able to complement
experiments. In these alloys, the $\gamma/\gamma'$ phase microstructure
co-evolves with the system of dislocations under load, and understanding the
mutual interacti... | 1702.02386v1 |
2017-02-10 | Mechanical behavior, bonding nature, and defect processes of Mo2ScAlC2: a new ordered MAX phase | In the present study we employed density functional theory calculations to
investigate the mechanical behavior, bonding nature and defect processes of the
new ordered MAX phase Mo2ScAlC2. The mechanical stability of the compound is
verified with its single crystal elastic constants. The new phase Mo2ScAlC2 is
anticipat... | 1702.03048v1 |
2017-02-22 | Superconductivity and quantum criticality in heavy fermions CeIrSi$_3$ and CeRhSi$_3$ | Superconductivity and magnetism are mutually exclusive in most alloys and
elements, so it is striking that superconductivity emerges around a magnetic
quantum critical point (QCP) in many strongly correlated electron systems
(SCES). In the latter case superconductivity is believed to be unconventional
and directly infl... | 1702.06812v2 |
2017-06-02 | Relationship between critical current and flux-flow resistivity in the mixed state of Ba(Fe$_{1-x}$Co$_x$)$_2$As$_2$ | We studied the temperature and magnetic field dependence of vortex
dissipation and critical current in the mixed-state of unconventional
superconducting alloys Ba(Fe$_{1-x}$Co$_x$)$_2$As$_2$ ($0.044 \leq x \leq
0.100$) through current-voltage measurements. Our results reveal that all the
electric field $E$ vs current d... | 1706.00543v1 |
2017-06-05 | Erasing and Correction of Liquid Metal Printed Electronics Made of Gallium Alloy Ink from the Substrate | Gallium-based liquid metals have recently been found important in a variety
of newly emerging applications such as room temperature metal 3D printing,
direct writing of electronics and biomedicine etc. In all these practices, one
frequently encounters the situations that a printed circuit or track needs to
be corrected... | 1706.01457v1 |
2017-06-07 | \textit{Ab Initio} Study of the Magnetic Behavior of Metal Hydrides: A Comparison with the Slater-Pauling Curve | We investigated the magnetic behavior of metal hydrides FeH$_{x}$, CoH$_{x}$
and NiH$_{x}$ for several concentrations of hydrogen ($x$) by using Density
Functional Theory calculations. Several structural phases of the metallic host:
bcc ($\alpha$), fcc ($\gamma$), hcp ($\varepsilon$), dhcp ($\varepsilon'$),
tetragonal ... | 1706.02285v2 |
2017-06-11 | Structural, elastic, electronic, and bonding properties of intermetallic Nb3Pt and Nb3Os compounds: a DFT study | Theoretical investigation of structural, elastic, electronic and bonding
properties of A-15 Nb-based intermetallic compounds Nb3B (B = Pt, Os) have been
performed using first principles calculations based on the density functional
theory (DFT). Optimized cell parameters are found to be in good agreement with
available ... | 1706.03314v1 |
2017-06-13 | Novel Exotic Magnetic Spin-order in Co5Ge3 Nano-size Materials | The Cobalt-germanium (Co-Ge) is a fascinating complex alloy system that has
unique structure and exhibit range of interesting magnetic properties which
would change when reduce to nanoscale dimension. At this experimental work, the
high-aspect-ratio Co5Ge3 nanoparticle with average size of 8nm was synthesized
by gas ag... | 1706.04271v2 |
2017-06-19 | Investigation of the Dzyaloshinskii-Moriya interaction and room temperature skyrmions in W/CoFeB/MgO thin films and microwires | Recent studies have shown that material structures, which lack structural
inversion symmetry and have high spin-orbit coupling can exhibit chiral
magnetic textures and skyrmions which could be a key component for next
generation storage devices. The Dzyaloshinskii-Moriya Interaction (DMI) that
stabilizes skyrmions is a... | 1706.05987v1 |
2017-06-23 | Upgrade of the ultracold neutron source at the pulsed reactor TRIGA Mainz | The performance of the upgraded solid deuterium ultracold neutron source at
the pulsed reactor TRIGA Mainz is described. The current configuration stage
comprises the installation of a He liquefier to run UCN experiments over
long-term periods, the use of stainless steel neutron guides with improved
transmission as wel... | 1706.07795v2 |
2017-10-02 | Multiple-scale structures: from Faraday waves to soft-matter quasicrystals | For many years, quasicrystals were observed only as solid-state metallic
alloys, yet current research is now actively exploring their formation in a
variety of soft materials, including systems of macromolecules, nanoparticles
and colloids. Much effort is being invested in understanding the thermodynamic
properties of ... | 1710.00832v2 |
2017-10-12 | Higher-order Fermi-liquid corrections for an Anderson impurity away from half-filling III: non-equilibrium transport | We extend the microscopic Fermi-liquid theory for the Anderson impurity
[Phys.\ Rev.\ B {\bf 64}, 153305 (2001)] to explore non-equilibrium transport
at finite magnetic fields. Using the Ward identities in the Keldysh formalism
with the analytic and anti-symmetric properties of the vertex function, the
spin-dependent F... | 1710.04575v6 |
2017-10-13 | Comparison the optical properties for Bi2O3 and NiO ultrathin films deposited on different substrates by DC sputtering technique for transparent electronics | Bismuth and Nickel transparent oxides thin films were grown on glass and
flexible polythelene terephalate (PET) substrates by DC sputtering technique at
room temperature 300 K. The structures of Bi2O3 and NiO films were analyzed by
X-ray diffraction (XRD) analyses and scanning electron microscopy (SEM). A
profilometry ... | 1710.04815v1 |
2018-04-02 | Thermal evolution and sintering of chondritic planetesimals IV. Temperature dependence of heat conductivity of asteroids and meteorites | Understanding the compaction and differentiation of the planetesimals and
protoplanets from the Asteroid Belt and the terrestrial planet region of the
Solar System requires a reliable modeling of their internal thermal evolution.
An important ingredient for this is a detailed knowledge of the heat
conductivity of the c... | 1804.00574v1 |
2018-04-05 | Phase-field modeling of equilibrium precipitate shapes under the influence of coherency stresses | Coherency misfit stresses and their related anisotropies are known to
influence the equilibrium shapes of precipitates. Additionally, mechanical
properties of the alloys are also dependent on the shapes of the precipitates.
Therefore, in order to investigate the mechanical response of a material which
undergoes precipi... | 1804.01763v1 |
2018-04-06 | Automatic Selection of Atomic Fingerprints and Reference Configurations for Machine-Learning Potentials | Machine learning of atomic-scale properties is revolutionizing molecular
modelling, making it possible to evaluate inter-atomic potentials with
first-principles accuracy, at a fraction of the costs. The accuracy, speed and
reliability of machine-learning potentials, however, depends strongly on the
way atomic configura... | 1804.02150v1 |
2018-04-07 | Analysis of Misorientation Relationships between Austenite Parents and Twins | The forward transformation from face centered cubic austenite to body
centered cubic/tetragonal martensite in ferrous alloys can significantly in-
fluence the microstructure and mechanical properties of the material. Inferring
possible high temperature crystal orientations from observations of ambient
temperature trans... | 1804.02506v1 |
2018-04-09 | Pressure effects on the structural and superconducting transitions in La3Co4Sn13 | La3Co4Sn13 is a superconducting material with transition temperature at Tc =
2.70 K, which presents a superlattice structural transition at T* ~ 150 K, a
common feature for this class of compounds. However, for this material, it is
not clear that at T* the lattice distortions arise from a charge density wave
(CDW) or f... | 1804.03215v2 |
2018-04-12 | Pt$_3$Zr(0001): A substrate for growing well-ordered ultrathin zirconia films by oxidation | We have studied the surface of pure and oxidized Pt$_3$Zr(0001) by scanning
tunneling microscopy (STM), Auger electron microscopy, and density functional
theory (DFT). The well-annealed alloy surface shows perfect long-range chemical
order. Occasional domain boundaries are probably caused by nonstoichiometry.
Pt$_3$Zr ... | 1804.04405v1 |
2018-03-20 | Nanoscience Perspective on Disorder Modifications of Superconducting Critical Temperature | Superconductivity can be modified by various effects related to randomness,
disorder, structural defects, and other similar physical effects. Their affects
on superconductivity are important because such effects are intrinsic to
certain material system's preparation, or may be intentionally produced. In
this work we sh... | 1804.06226v1 |
2018-04-14 | Investigating the Composite/Metal Interface and its Influence on the Electrical Resistance Measurement | The advantages introduced by carbon fiber reinforced polymer (CFRP)
composites has made them an appropriate choice in many applications and an
ideal replacement for conventional materials. The benefits using CFRP
composites are due to their lightweight, high stiffness, as well as corrosion
resistance. For this reason, ... | 1804.06246v1 |
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